[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl] carbamimidothioate

Systemtic Name: [1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl] carbamimidothioate Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl] ester IUPAC Name: [1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl] carbamimidothioate Traditional Name: 2-[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]isothiourea Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=N)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=N)N

InChI

InChI=1S/C17H22N4OS/c18-17(19)23-15-11-21(14-8-4-3-7-13(14)15)12-16(22)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H3,18,19)