N-(phenylmethyl)-4-quinolin-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-quinolin-4-yl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-quinolyl)piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(4-quinolinyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-quinolin-4-ylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-quinolyl)piperazine-1-carbothioamide Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC3=CC=CC=C32)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=NC3=CC=CC=C32)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c26-21(23-16-17-6-2-1-3-7-17)25-14-12-24(13-15-25)20-10-11-22-19-9-5-4-8-18(19)20/h1-11H,12-16H2,(H,23,26)