9-[4-(butanoylamino)phenyl]carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 9-[4-(butanoylamino)phenyl]carbonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 9-[4-(butanoylamino)benzoyl]-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 6-(methylthio)-9-[oxo-[4-(1-oxobutylamino)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 9-[4-(butanoylamino)benzoyl]-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 9-(4-butyramidobenzoyl)-6-(methylthio)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C2C=CC(=C4)SC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C2C=CC(=C4)SC

InChI

InChI=1S/C25H26N2O4S/c1-3-4-23(28)26-17-8-5-15(6-9-17)24(29)27-21-11-7-16(25(30)31)13-19(21)20-14-18(32-2)10-12-22(20)27/h5-6,8-10,12,14,16H,3-4,7,11,13H2,1-2H3,(H,26,28)(H,30,31)