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

Systemtic Name: 1-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-phenethyl-thiourea Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2S/c22-15(13-21-12-6-2-5-9-16(21)23)19-20-17(24)18-11-10-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,22)(H2,18,20,24)