[1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate Openeye Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[(4-chlorophenyl)methyl]-3-indolyl] ester IUPAC Name: [1-[(4-chlorophenyl)methyl]indol-3-yl] carbamimidothioate Traditional Name: 2-[1-(4-chlorobenzyl)indol-3-yl]isothiourea Formula: C16H14ClN3S MolecularWeight: 315.82046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)SC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)SC(=N)N

InChI

InChI=1S/C16H14ClN3S/c17-12-7-5-11(6-8-12)9-20-10-15(21-16(18)19)13-3-1-2-4-14(13)20/h1-8,10H,9H2,(H3,18,19)