4-(2,3-dimethylphenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

InChI

InChI=1S/C23H25N3O2S/c1-15-5-4-6-20(17(15)3)25-9-11-26(12-10-25)23(29)24-18-7-8-19-16(2)13-22(27)28-21(19)14-18/h4-8,13-14H,9-12H2,1-3H3,(H,24,29)