1-[2-(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(2-keto-5,8-dimethyl-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-12-3-4-13(2)18-17(12)11-14(19(25)23-18)9-10-21-20(28)22-15-5-7-16(8-6-15)24(26)27/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H2,21,22,28)