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

Systemtic Name: 1-(2-methoxyethyl)-3-(4-nitrophenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-(2-methoxyethyl)-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-(2-methoxyethyl)-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-(2-methoxyethyl)-3-(4-nitrophenyl)thiourea Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-28-11-10-23(19(29)20-13-6-8-14(9-7-13)24(26)27)12-17-21-16-5-3-2-4-15(16)18(25)22-17/h2-9H,10-12H2,1H3,(H,20,29)(H,21,22,25)