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

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-mesyl-piperazine-1-carbothioamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-11-9-15(20)23-14-10-12(3-4-13(11)14)17-16(24)18-5-7-19(8-6-18)25(2,21)22/h3-4,9-10H,5-8H2,1-2H3,(H,17,24)