N-(3-methoxyphenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S2/c1-28-20-8-4-7-19(16-20)23-22(29)24-11-13-25(14-12-24)30(26,27)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16H,11-14H2,1H3,(H,23,29)