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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/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/h2-3,8,10,16H,4-7,9,11-14H2,1H3,(H2,21,22,28)