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

Systemtic Name: [1-[2-[(4-chlorophenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-4-chloro-benzamide CAS Name: carbamimidothioic acid [1-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester IUPAC Name: [1-[2-[(4-chlorobenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-4-chloro-benzamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4OS/c19-13-7-5-12(6-8-13)17(24)22-9-10-23-11-16(25-18(20)21)14-3-1-2-4-15(14)23/h1-8,11H,9-10H2,(H3,20,21)(H,22,24)