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

Systemtic Name: 1-butyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-benzyl-1-butyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-13-25(21(27)22-14-16-9-5-4-6-10-16)15-19-23-18-12-8-7-11-17(18)20(26)24-19/h4-12H,2-3,13-15H2,1H3,(H,22,27)(H,23,24,26)