1-(3,5-dimethylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-15-11-16(2)13-17(12-15)22-21(28)23-18-7-3-4-10-25(20(18)27)14-19(26)24-8-5-6-9-24/h11-13,18H,3-10,14H2,1-2H3,(H2,22,23,28)