methyl 4-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C19H29N3O4S2/c1-3-5-16-7-9-17(10-8-16)28(24,25)22-14-12-21(13-15-22)19(27)20-11-4-6-18(23)26-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,27)