4-(furan-2-ylmethyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C20H21N3O3S/c1-14-11-19(24)26-18-12-15(4-5-17(14)18)21-20(27)23-8-6-22(7-9-23)13-16-3-2-10-25-16/h2-5,10-12H,6-9,13H2,1H3,(H,21,27)