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

Systemtic Name: 1-(2-methoxy-5-phenyl-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(2-methoxy-5-phenyl-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(2-methoxy-5-phenylphenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(2-methoxy-5-phenylphenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methoxy-5-phenyl-phenyl)thiourea Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC3CCCCN(C3=O)CC(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC3CCCCN(C3=O)CC(=O)N4CCCC4

InChI

InChI=1S/C26H32N4O3S/c1-33-23-13-12-20(19-9-3-2-4-10-19)17-22(23)28-26(34)27-21-11-5-6-16-30(25(21)32)18-24(31)29-14-7-8-15-29/h2-4,9-10,12-13,17,21H,5-8,11,14-16,18H2,1H3,(H2,27,28,34)