4-(7-chloranyl-6-nitro-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(7-chloranyl-6-nitro-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-chloro-6-nitro-quinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(7-chloro-6-nitro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7-chloro-6-nitroquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-chloro-6-nitro-quinazolin-4-yl)piperazine-1-carbothioamide Formula: C20H19ClN6O2S MolecularWeight: 442.92186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6O2S/c21-16-11-17-15(10-18(16)27(28)29)19(24-13-23-17)25-6-8-26(9-7-25)20(30)22-12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H,22,30)