(phenylmethyl) 4-(4-azanyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbodithioate

Systemtic Name: (phenylmethyl) 4-(4-azanyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbodithioate Openeye Name: benzyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbodithioate CAS Name: 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)-1-piperazinecarbodithioic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbodithioate Traditional Name: 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbodithioic acid benzyl ester Formula: C20H25N5S2 MolecularWeight: 399.576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C(=S)SCC4=CC=CC=C4)N

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)N3CCN(CC3)C(=S)SCC4=CC=CC=C4)N

InChI

InChI=1S/C20H25N5S2/c21-18-16-8-4-5-9-17(16)22-19(23-18)24-10-12-25(13-11-24)20(26)27-14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H2,21,22,23)