(phenylmethyl) 9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: (phenylmethyl) 9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 9-[(2-hexylphenyl)-sulfanylidenemethyl]-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 9-(2-hexylthiobenzoyl)-5-(5-phenylpentyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C44H49NO2S MolecularWeight: 655.93036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(C(CCC3)C(=O)OCC4=CC=CC=C4)C5=C(C=CC=C52)CCCCCC6=CC=CC=C6

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(C(CCC3)C(=O)OCC4=CC=CC=C4)C5=C(C=CC=C52)CCCCCC6=CC=CC=C6

InChI

InChI=1S/C44H49NO2S/c1-2-3-4-13-24-35-25-15-16-28-37(35)43(48)45-39-30-17-27-36(26-14-7-10-21-33-19-8-5-9-20-33)41(39)42-38(29-18-31-40(42)45)44(46)47-32-34-22-11-6-12-23-34/h5-6,8-9,11-12,15-17,19-20,22-23,25,27-28,30,38H,2-4,7,10,13-14,18,21,24,26,29,31-32H2,1H3