1-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-(4-phenoxyphenyl)thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c26-19(15-25-14-6-2-5-9-20(25)27)23-24-21(29)22-16-10-12-18(13-11-16)28-17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,26)(H2,22,24,29)