5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 5-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 5-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 2-keto-5-[[2-[(3-methylbenzyl)thio]acetyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2CCCC3=C2C=C(C(=O)N3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2CCCC3=C2C=C(C(=O)N3)C(=O)N

InChI

InChI=1S/C20H23N3O3S/c1-12-4-2-5-13(8-12)10-27-11-18(24)22-16-6-3-7-17-14(16)9-15(19(21)25)20(26)23-17/h2,4-5,8-9,16H,3,6-7,10-11H2,1H3,(H2,21,25)(H,22,24)(H,23,26)