N-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-[(4-methoxyphenyl)thio]butyramide Formula: C25H24N2O2S2 MolecularWeight: 448.60026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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