1-[4-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea Openeye Name: 1-[4-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]-3-phenylthiourea Traditional Name: 1-[4-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]phenyl]-3-phenyl-thiourea Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-21(2)13-18(12-19(25)14-21)22-16-8-10-17(11-9-16)24-20(26)23-15-6-4-3-5-7-15/h3-12,22H,13-14H2,1-2H3,(H2,23,24,26)