4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-phenyl-methyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-phenyl-methyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-phenyl-methyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)-phenyl-methyl]butyramide Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N2O2S2/c1-29-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(28)12-7-17-30-25-26-21-10-5-6-11-22(21)31-25/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,28)