4-(3-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-methoxyphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-methoxyphenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-methoxyphenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O4S2/c1-29-20-4-2-3-19(17-20)24-9-11-25(12-10-24)22(31)23-18-5-7-21(8-6-18)32(27,28)26-13-15-30-16-14-26/h2-8,17H,9-16H2,1H3,(H,23,31)