(phenylmethyl) 4-(4-oxidanylidene-2-sulfanyl-thiochromen-7-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-oxidanylidene-2-sulfanyl-thiochromen-7-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(4-oxo-2-sulfanyl-thiochromen-7-yl)piperazine-1-carboxylate CAS Name: 4-(2-mercapto-4-oxo-1-benzothiopyran-7-yl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-oxo-2-sulfanylthiochromen-7-yl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-2-mercapto-thiochromen-7-yl)piperazine-1-carboxylic acid benzyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C=C(S3)S)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C=C(S3)S)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c24-18-13-20(27)28-19-12-16(6-7-17(18)19)22-8-10-23(11-9-22)21(25)26-14-15-4-2-1-3-5-15/h1-7,12-13,27H,8-11,14H2