1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 1-(3-methoxy-4-oxazol-5-yl-phenyl)-3-[2-(3-nitrophenyl)-2-oxo-ethyl]thiourea CAS Name: 1-[3-methoxy-4-(5-oxazolyl)phenyl]-3-[2-(3-nitrophenyl)-2-oxoethyl]thiourea IUPAC Name: 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(3-nitrophenyl)-2-oxoethyl]thiourea Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]-3-(3-methoxy-4-oxazol-5-yl-phenyl)thiourea Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CO3

InChI

InChI=1S/C19H16N4O5S/c1-27-17-8-13(5-6-15(17)18-10-20-11-28-18)22-19(29)21-9-16(24)12-3-2-4-14(7-12)23(25)26/h2-8,10-11H,9H2,1H3,(H2,21,22,29)