N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-methyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-methyl-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-5-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[3-(4-benzhydrylpiperazino)propyl]-5-methyl-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C(C1=S)C(=O)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1C=CC=C(C1=S)C(=O)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3OS/c1-22-10-8-15-25(27(22)33)28(32)29-16-9-17-30-18-20-31(21-19-30)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,22,26H,9,16-21H2,1H3,(H,29,32)