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

Systemtic Name: 1-ethyl-3-(4-nitrophenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-ethyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-ethyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-ethyl-3-(4-nitrophenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-ethyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(4-nitrophenyl)thiourea Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-2-22(18(27)19-12-7-9-13(10-8-12)23(25)26)11-16-20-15-6-4-3-5-14(15)17(24)21-16/h3-10H,2,11H2,1H3,(H,19,27)(H,20,21,24)