3-[[2-azanyl-4-(3-methoxyphenyl)sulfanyl-phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[[2-azanyl-4-(3-methoxyphenyl)sulfanyl-phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[2-amino-4-(3-methoxyphenyl)sulfanyl-anilino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[2-amino-4-[(3-methoxyphenyl)thio]anilino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[2-amino-4-(3-methoxyphenyl)sulfanylanilino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[2-amino-4-[(3-methoxyphenyl)thio]anilino]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)SC3=CC=CC(=C3)OC)N)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)SC3=CC=CC(=C3)OC)N)C

InChI

InChI=1S/C21H24N2O2S/c1-21(2)12-14(9-15(24)13-21)23-20-8-7-18(11-19(20)22)26-17-6-4-5-16(10-17)25-3/h4-11,23H,12-13,22H2,1-3H3