[1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate Openeye Name: 2-[1-(m-tolylmethyl)indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[(3-methylphenyl)methyl]-3-indolyl] ester IUPAC Name: [1-[(3-methylphenyl)methyl]indol-3-yl] carbamimidothioate Traditional Name: 2-[1-(3-methylbenzyl)indol-3-yl]isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SC(=N)N

InChI

InChI=1S/C17H17N3S/c1-12-5-4-6-13(9-12)10-20-11-16(21-17(18)19)14-7-2-3-8-15(14)20/h2-9,11H,10H2,1H3,(H3,18,19)