1-(2-methoxyphenyl)-3-[2-oxidanylidene-1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-oxidanylidene-1-(2-oxidanyl-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-[1-(2-hydroxy-2-pyrrolidin-1-yl-ethyl)-2-oxo-azepan-3-yl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[1-[2-hydroxy-2-(1-pyrrolidinyl)ethyl]-2-oxo-3-azepanyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[1-(2-hydroxy-2-pyrrolidin-1-ylethyl)-2-oxoazepan-3-yl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[1-(2-hydroxy-2-pyrrolidino-ethyl)-2-keto-azepan-3-yl]-3-(2-methoxyphenyl)thiourea Formula: C20H30N4O3S MolecularWeight: 406.5422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2CCCCN(C2=O)CC(N3CCCC3)O

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2CCCCN(C2=O)CC(N3CCCC3)O

InChI

InChI=1S/C20H30N4O3S/c1-27-17-10-3-2-8-15(17)21-20(28)22-16-9-4-5-13-24(19(16)26)14-18(25)23-11-6-7-12-23/h2-3,8,10,16,18,25H,4-7,9,11-14H2,1H3,(H2,21,22,28)