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

Systemtic Name: 3-[[2-azanyl-4-(2-methoxyphenyl)sulfanyl-phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[2-amino-4-(2-methoxyphenyl)sulfanyl-anilino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[2-amino-4-[(2-methoxyphenyl)thio]anilino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[2-amino-4-(2-methoxyphenyl)sulfanylanilino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[2-amino-4-[(2-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=C3OC)N)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)SC3=CC=CC=C3OC)N)C

InChI

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