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

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N2O3S2/c1-18-9-14-22(31-3)24-25(18)33-26(27-24)28(17-19-7-5-4-6-8-19)23(29)15-16-32-21-12-10-20(30-2)11-13-21/h4-14H,15-17H2,1-3H3