N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N2O2S2/c1-18-9-10-19(2)25-24(18)27-26(32-25)28(17-20-7-5-4-6-8-20)23(29)15-16-31-22-13-11-21(30-3)12-14-22/h4-14H,15-17H2,1-3H3