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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S2/c1-30-19-9-11-20(12-10-19)33-16-15-23(29)28(17-18-7-5-4-6-8-18)26-27-24-21(31-2)13-14-22(32-3)25(24)34-26/h4-14H,15-17H2,1-3H3