N-(2,5-dimethylphenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O2S2/c1-17-7-8-18(2)22(15-17)24-23(29)25-11-13-26(14-12-25)30(27,28)21-10-9-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)