N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C27H31N3OS/c1-17-9-10-20(13-18(17)2)30-26(32)25-23(14-27(3,4)15-24(25)31)28-12-11-19-16-29-22-8-6-5-7-21(19)22/h5-10,13,16,28-29H,11-12,14-15H2,1-4H3,(H,30,32)