[1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[2-(thiophen-2-ylcarbonylamino)ethyl]indol-3-yl] carbamimidothioate Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]thiophene-2-carboxamide CAS Name: carbamimidothioic acid [1-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-3-indolyl] ester IUPAC Name: [1-[2-(thiophene-2-carbonylamino)ethyl]indol-3-yl] carbamimidothioate Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]thiophene-2-carboxamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SC(=N)N

InChI

InChI=1S/C16H16N4OS2/c17-16(18)23-14-10-20(12-5-2-1-4-11(12)14)8-7-19-15(21)13-6-3-9-22-13/h1-6,9-10H,7-8H2,(H3,17,18)(H,19,21)