N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C23H25N3O2S/c1-16-5-3-4-6-18(16)15-25-9-11-26(12-10-25)23(29)24-19-7-8-20-17(2)13-22(27)28-21(20)14-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,29)