5-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 5-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 5-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 5-[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 5-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 2-keto-5-[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)NC2CCCC3=C2C=C(C(=O)N3)C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)NC2CCCC3=C2C=C(C(=O)N3)C(=O)N

InChI

InChI=1S/C20H21N3O3S/c1-27-13-8-5-12(6-9-13)7-10-18(24)22-16-3-2-4-17-14(16)11-15(19(21)25)20(26)23-17/h5-11,16H,2-4H2,1H3,(H2,21,25)(H,22,24)(H,23,26)/b10-7+