1-(3-chloranyl-4-methyl-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-14-7-8-15(12-16(14)21)22-20(28)23-17-6-2-3-11-25(19(17)27)13-18(26)24-9-4-5-10-24/h7-8,12,17H,2-6,9-11,13H2,1H3,(H2,22,23,28)