4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)N4CCN(CC4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C22H25N5S/c28-22(23-17-8-2-1-3-9-17)27-14-12-26(13-15-27)21-24-18-10-4-6-16-7-5-11-19(25-21)20(16)18/h1-4,6,8-10,19H,5,7,11-15H2,(H,23,28)(H,24,25)