1-(3-methoxyphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C16H22N4O3S/c1-23-13-7-5-6-12(10-13)17-16(24)19-18-14(21)11-20-9-4-2-3-8-15(20)22/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,21)(H2,17,19,24)