4-(5-chloranylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(5-chloroquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(5-chloroquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(5-chloroquinazolin-4-yl)piperazine-1-carbothioamide Formula: C20H20ClN5S MolecularWeight: 397.9243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C(=CC=C3)Cl)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C(=CC=C3)Cl)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5S/c21-16-7-4-8-17-18(16)19(24-14-23-17)25-9-11-26(12-10-25)20(27)22-13-15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,22,27)