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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(CC(CC3)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(CC(CC3)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

InChI

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