N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-1-indolyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[3-[[2-(homoveratrylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]thiophene-2-carboxamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C27H29N3O4S2/c1-33-22-10-9-19(16-23(22)34-2)11-12-28-26(31)18-36-25-17-30(21-7-4-3-6-20(21)25)14-13-29-27(32)24-8-5-15-35-24/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,31)(H,29,32)