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

Systemtic Name: 4-(5-methylquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(5-methylquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(5-methyl-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(5-methylquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(5-methylquinazolin-4-yl)piperazine-1-carbothioamide Formula: C21H23N5S MolecularWeight: 377.50582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

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