[1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[(2,5-dimethylphenyl)methyl]-3-indolyl] ester IUPAC Name: [1-[(2,5-dimethylphenyl)methyl]indol-3-yl] carbamimidothioate Traditional Name: 2-[1-(2,5-dimethylbenzyl)indol-3-yl]isothiourea Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-12-7-8-13(2)14(9-12)10-21-11-17(22-18(19)20)15-5-3-4-6-16(15)21/h3-9,11H,10H2,1-2H3,(H3,19,20)