2-[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(diallylamino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(diallylamino)-2-keto-ethyl]thio]cinchoninamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

C=CCN(CC=C)C(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C21H23N3O2S/c1-3-11-24(12-4-2)20(25)14-27-19-13-17(21(26)22-15-9-10-15)16-7-5-6-8-18(16)23-19/h3-8,13,15H,1-2,9-12,14H2,(H,22,26)