1-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]thiourea CAS Name: 1-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]thiourea Traditional Name: 1-benzyl-3-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]thiourea Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NNC(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NNC(=S)NCC2=CC=CC=C2)C

InChI

InChI=1S/C16H21N3OS/c1-16(2)9-13(8-14(20)10-16)18-19-15(21)17-11-12-6-4-3-5-7-12/h3-8,18H,9-11H2,1-2H3,(H2,17,19,21)