N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-4-piperidinosulfonyl-benzamide Formula: C31H31N7O4S3 MolecularWeight: 661.81734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C31H31N7O4S3/c1-21-8-7-9-23(18-21)38-27(35-36-31(38)43-20-28(39)34-30-33-25-10-3-4-11-26(25)44-30)19-32-29(40)22-12-14-24(15-13-22)45(41,42)37-16-5-2-6-17-37/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3,(H,32,40)(H,33,34,39)