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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-4-12-25(21(28)22-15-8-7-9-16(13-15)27-2)14-19-23-18-11-6-5-10-17(18)20(26)24-19/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,28)(H,23,24,26)