N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-phenyl-cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C27H25N3O2S/c1-15-12-13-20-19(14-15)22(16(2)24(29-20)17-8-4-3-5-9-17)26(32)30-27-23(25(28)31)18-10-6-7-11-21(18)33-27/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H2,28,31)(H,30,32)