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

Systemtic Name: [1-[2-[(4-ethoxyphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-ethoxy-benzamide CAS Name: carbamimidothioic acid [1-[2-[[(4-ethoxyphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester IUPAC Name: [1-[2-[(4-ethoxybenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N

InChI

InChI=1S/C20H22N4O2S/c1-2-26-15-9-7-14(8-10-15)19(25)23-11-12-24-13-18(27-20(21)22)16-5-3-4-6-17(16)24/h3-10,13H,2,11-12H2,1H3,(H3,21,22)(H,23,25)