2-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C23H22ClN3O2S2 MolecularWeight: 472.02268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H22ClN3O2S2/c1-2-11-27(13-16-9-10-20(24)31-16)22(28)14-30-21-12-18(23(29)25-15-7-8-15)17-5-3-4-6-19(17)26-21/h2-6,9-10,12,15H,1,7-8,11,13-14H2,(H,25,29)