N-butyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: N-butyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-butyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-butyl-N-[4-(2-methoxyphenyl)-1-piperazinyl]-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-butyl-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-butyl-N-[4-(2-methoxyphenyl)piperazino]-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=CC(=S)CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN(C(=O)C1=CC(=S)CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O2S/c1-3-4-12-25(22(26)18-8-7-9-19(28)17-18)24-15-13-23(14-16-24)20-10-5-6-11-21(20)27-2/h5-8,10-11,17H,3-4,9,12-16H2,1-2H3