3,4-dimethoxy-N-[2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylindol-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylindol-1-yl]ethyl]benzamide Openeye Name: N-[2-[3-(2-anilino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[3-[(2-anilino-2-oxoethyl)thio]-1-indolyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[3-(2-anilino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[3-[(2-anilino-2-keto-ethyl)thio]indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O4S/c1-33-23-13-12-19(16-24(23)34-2)27(32)28-14-15-30-17-25(21-10-6-7-11-22(21)30)35-18-26(31)29-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,32)(H,29,31)