3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[1-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)N=C(S3)C

InChI

InChI=1S/C21H23N3O2S2/c1-13-5-4-6-15(11-13)20(25)24-18(9-10-27-3)21(26)23-16-7-8-17-19(12-16)28-14(2)22-17/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,26)(H,24,25)