5-chloranyl-N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-5-chloro-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: 5-chloro-N-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-5-chloro-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[2-(4-benzhydrylpiperazino)ethyl]-5-chloro-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C26H28ClN3OS MolecularWeight: 466.03802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=CC(C2=S)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=CC(C2=S)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3OS/c27-23-13-7-12-22(25(23)32)26(31)28-14-15-29-16-18-30(19-17-29)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,23-24H,14-19H2,(H,28,31)