4-(2,3-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H30N4O3S2/c1-18-4-3-5-22(19(18)2)25-10-12-26(13-11-25)23(31)24-20-6-8-21(9-7-20)32(28,29)27-14-16-30-17-15-27/h3-9H,10-17H2,1-2H3,(H,24,31)