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

Systemtic Name: 3-(3-methoxypropyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-methoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(3-methoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-methoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-benzyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(3-methoxypropyl)thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-27-13-7-12-22-21(28)25(14-16-8-3-2-4-9-16)15-19-23-18-11-6-5-10-17(18)20(26)24-19/h2-6,8-11H,7,12-15H2,1H3,(H,22,28)(H,23,24,26)