1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(2-keto-7,8-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=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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