[4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanethione

Systemtic Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanethione Openeye Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenyl-methanethione CAS Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-1-piperazinyl]-phenylmethanethione IUPAC Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazin-1-yl]-phenylmethanethione Traditional Name: [4-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)piperazino]-phenyl-methanethione Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4S/c27-21(17-6-2-1-3-7-17)25-12-14-26(15-13-25)22-23-18-10-4-8-16-9-5-11-19(24-22)20(16)18/h1-4,6-8,10,19H,5,9,11-15H2,(H,23,24)