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

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(3-methoxyphenyl)thiourea Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3

InChI

InChI=1S/C20H28N4O3S/c1-27-16-8-6-7-15(13-16)21-20(28)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,28)