4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O3S2/c1-16(17-6-4-3-5-7-17)21-20(27)22-12-14-23(15-13-22)28(24,25)19-10-8-18(26-2)9-11-19/h3-11,16H,12-15H2,1-2H3,(H,21,27)