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

Systemtic Name: 1-butyl-3-(4-nitrophenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(4-nitrophenyl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-2-3-12-24(20(29)21-14-8-10-15(11-9-14)25(27)28)13-18-22-17-7-5-4-6-16(17)19(26)23-18/h4-11H,2-3,12-13H2,1H3,(H,21,29)(H,22,23,26)