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

Systemtic Name: [1-[2-[(2-methylphenyl)carbonylamino]ethyl]indol-3-yl] carbamimidothioate Openeye Name: N-[2-(3-carbamimidoylsulfanylindol-1-yl)ethyl]-2-methyl-benzamide CAS Name: carbamimidothioic acid [1-[2-[[(2-methylphenyl)-oxomethyl]amino]ethyl]-3-indolyl] ester IUPAC Name: [1-[2-[(2-methylbenzoyl)amino]ethyl]indol-3-yl] carbamimidothioate Traditional Name: N-[2-[3-(amidinothio)indol-1-yl]ethyl]-2-methyl-benzamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SC(=N)N

InChI

InChI=1S/C19H20N4OS/c1-13-6-2-3-7-14(13)18(24)22-10-11-23-12-17(25-19(20)21)15-8-4-5-9-16(15)23/h2-9,12H,10-11H2,1H3,(H3,20,21)(H,22,24)