1-(2,5-dimethylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H24N4O2S/c1-12-7-8-13(2)14(10-12)18-17(24)20-19-15(22)11-21-9-5-3-4-6-16(21)23/h7-8,10H,3-6,9,11H2,1-2H3,(H,19,22)(H2,18,20,24)