4-(7-chloranylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(7-chloranylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-chloroquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(7-chloro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7-chloroquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-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/c21-16-6-7-17-18(12-16)23-14-24-19(17)25-8-10-26(11-9-25)20(27)22-13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,22,27)