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

Systemtic Name: 4-(3-methoxyphenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(3-methoxyphenyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(3-methoxyphenyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H23N3O3S/c1-15-12-21(26)28-20-13-16(6-7-19(15)20)23-22(29)25-10-8-24(9-11-25)17-4-3-5-18(14-17)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,23,29)