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

Systemtic Name: 4-(7-methylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-methylquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(7-methyl-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7-methylquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-methylquinazolin-4-yl)piperazine-1-carbothioamide Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5S/c1-16-7-8-18-19(13-16)23-15-24-20(18)25-9-11-26(12-10-25)21(27)22-14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,27)