1-(5-chloranyl-2-methoxy-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O3S/c1-28-17-8-7-14(21)12-16(17)23-20(29)22-15-6-2-3-11-25(19(15)27)13-18(26)24-9-4-5-10-24/h7-8,12,15H,2-6,9-11,13H2,1H3,(H2,22,23,29)