1-[5-chloranyl-2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[5-chloranyl-2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea Openeye Name: 1-[5-chloro-2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea CAS Name: 1-[5-chloro-2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]phenyl]-3-phenylthiourea IUPAC Name: 1-[5-chloro-2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]-3-phenylthiourea Traditional Name: 1-[5-chloro-2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)Cl)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)Cl)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H22ClN3OS/c1-21(2)12-16(11-17(26)13-21)23-18-9-8-14(22)10-19(18)25-20(27)24-15-6-4-3-5-7-15/h3-11,23H,12-13H2,1-2H3,(H2,24,25,27)