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

Systemtic Name: 1-[2-(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(2-keto-7-methyl-1H-quinolin-3-yl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-12-2-3-13-11-14(18(24)22-17(13)10-12)8-9-20-19(27)21-15-4-6-16(7-5-15)23(25)26/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H2,20,21,27)