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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C19H28N4O2S MolecularWeight: 376.51622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C19H28N4O2S/c1-2-3-7-15-9-11-16(12-10-15)20-19(26)22-21-17(24)14-23-13-6-4-5-8-18(23)25/h9-12H,2-8,13-14H2,1H3,(H,21,24)(H2,20,22,26)