9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-[(2-hexylphenyl)-sulfanylidenemethyl]-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 9-(2-hexylthiobenzoyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C37H43NO2S MolecularWeight: 565.80782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(C(CCC3)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(C(CCC3)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

InChI

InChI=1S/C37H43NO2S/c1-2-3-4-10-19-28-20-12-13-23-30(28)36(41)38-32-25-14-22-29(21-11-6-9-18-27-16-7-5-8-17-27)34(32)35-31(37(39)40)24-15-26-33(35)38/h5,7-8,12-14,16-17,20,22-23,25,31H,2-4,6,9-11,15,18-19,21,24,26H2,1H3,(H,39,40)