6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-thiophen-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: 6-methyl-N-[(3S)-2-oxoazepan-3-yl]-2-(3-thienyl)quinoline-4-carboxamide CAS Name: 6-methyl-N-[(3S)-2-oxo-3-azepanyl]-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 6-methyl-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-6-methyl-2-(3-thienyl)cinchoninamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CCCCNC3=O)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N[C@H]3CCCCNC3=O)C4=CSC=C4

InChI

InChI=1S/C21H21N3O2S/c1-13-5-6-17-15(10-13)16(11-19(23-17)14-7-9-27-12-14)20(25)24-18-4-2-3-8-22-21(18)26/h5-7,9-12,18H,2-4,8H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1