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

Systemtic Name: 1-(3-methylphenyl)-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-(m-tolyl)thiourea CAS Name: 1-[1-[2-hydroxy-2-(1-pyrrolidinyl)ethyl]-2-oxo-3-azepanyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[1-(2-hydroxy-2-pyrrolidin-1-ylethyl)-2-oxoazepan-3-yl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[1-(2-hydroxy-2-pyrrolidino-ethyl)-2-keto-azepan-3-yl]-3-(m-tolyl)thiourea Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2CCCCN(C2=O)CC(N3CCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2CCCCN(C2=O)CC(N3CCCC3)O

InChI

InChI=1S/C20H30N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17-18,25H,2-5,9-12,14H2,1H3,(H2,21,22,27)