1-(2,4-dimethylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-15-8-9-17(16(2)13-15)22-21(28)23-18-7-3-4-12-25(20(18)27)14-19(26)24-10-5-6-11-24/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H2,22,23,28)