N-cyclopropyl-2-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C20H22N4O3S/c1-11(18(25)24-20(27)22-13-8-9-13)28-17-10-15(19(26)21-12-6-7-12)14-4-2-3-5-16(14)23-17/h2-5,10-13H,6-9H2,1H3,(H,21,26)(H2,22,24,25,27)/t11-/m0/s1