1-[4-[[(5S)-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[[(5S)-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]phenyl]-3-phenyl-thiourea Openeye Name: 1-[4-[[(5S)-5-methyl-3-oxo-cyclohexen-1-yl]amino]phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[[(5S)-5-methyl-3-oxo-1-cyclohexenyl]amino]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-[[(5S)-5-methyl-3-oxocyclohexen-1-yl]amino]phenyl]-3-phenylthiourea Traditional Name: 1-[4-[[(5S)-3-keto-5-methyl-cyclohexen-1-yl]amino]phenyl]-3-phenyl-thiourea Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC(=CC(=O)C1)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-14-11-18(13-19(24)12-14)21-16-7-9-17(10-8-16)23-20(25)22-15-5-3-2-4-6-15/h2-10,13-14,21H,11-12H2,1H3,(H2,22,23,25)/t14-/m0/s1