[1-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-3,4-dimethoxy-benzamide CAS Name: carbamimidothioic acid [1-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester IUPAC Name: [1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-16-8-7-13(11-17(16)27-2)19(25)23-9-10-24-12-18(28-20(21)22)14-5-3-4-6-15(14)24/h3-8,11-12H,9-10H2,1-2H3,(H3,21,22)(H,23,25)