N-(3-methoxyphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S2/c1-25-18-9-5-8-17(14-18)20-19(26)21-10-12-22(13-11-21)27(23,24)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,20,26)