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

Systemtic Name: N-(phenylmethyl)-4-quinazolin-4-yl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-quinazolin-4-yl-piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-quinazolin-4-ylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-quinazolin-4-yl-piperazine-1-carbothioamide Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5S/c26-20(21-14-16-6-2-1-3-7-16)25-12-10-24(11-13-25)19-17-8-4-5-9-18(17)22-15-23-19/h1-9,15H,10-14H2,(H,21,26)