4-(6-chloranylquinolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-chloranylquinolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6-chloro-4-quinolyl)piperazine-1-carbothioamide CAS Name: 4-(6-chloro-4-quinolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6-chloroquinolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6-chloro-4-quinolyl)piperazine-1-carbothioamide Formula: C21H21ClN4S MolecularWeight: 396.93624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)Cl)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)Cl)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4S/c22-17-6-7-19-18(14-17)20(8-9-23-19)25-10-12-26(13-11-25)21(27)24-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,27)