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

Systemtic Name: 1-(4-ethylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3

InChI

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