methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[(4-p-cumenylsulfonylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C19H29N3O4S2 MolecularWeight: 427.58126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C19H29N3O4S2/c1-15(2)16-6-8-17(9-7-16)28(24,25)22-13-11-21(12-14-22)19(27)20-10-4-5-18(23)26-3/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,27)