3-methyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-methyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-methyl-thiourea Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CC1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CNC(=S)N(CC1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4OS/c1-19-18(24)22(11-13-7-3-2-4-8-13)12-16-20-15-10-6-5-9-14(15)17(23)21-16/h2-10H,11-12H2,1H3,(H,19,24)(H,20,21,23)