7-(2-methylpiperidin-1-yl)carbonyl-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(2-methylpiperidin-1-yl)carbonyl-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(2-methylpiperidine-1-carbonyl)-3-phenethyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(2-methyl-1-piperidinyl)-oxomethyl]-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(2-methylpiperidine-1-carbonyl)-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(2-methylpiperidine-1-carbonyl)-3-phenethyl-2-thioxo-1H-quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-16-7-5-6-13-25(16)21(27)18-10-11-19-20(15-18)24-23(29)26(22(19)28)14-12-17-8-3-2-4-9-17/h2-4,8-11,15-16H,5-7,12-14H2,1H3,(H,24,29)