8-chloranyl-6-hexoxy-9-(4-propan-2-ylphenyl)carbothioyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-hexoxy-9-(4-propan-2-ylphenyl)carbothioyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 8-chloro-6-hexoxy-9-(4-isopropylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 8-chloro-6-hexoxy-9-[(4-propan-2-ylphenyl)-sulfanylidenemethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 8-chloro-6-hexoxy-9-(4-propan-2-ylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 8-chloro-6-hexoxy-9-(4-isopropylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C29H34ClNO3S MolecularWeight: 512.10316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C2C(=C1)C3=C(N2C(=S)C4=CC=C(C=C4)C(C)C)CCC(C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCOC1=CC(=C2C(=C1)C3=C(N2C(=S)C4=CC=C(C=C4)C(C)C)CCC(C3)C(=O)O)Cl

InChI

InChI=1S/C29H34ClNO3S/c1-4-5-6-7-14-34-22-16-24-23-15-21(29(32)33)12-13-26(23)31(27(24)25(30)17-22)28(35)20-10-8-19(9-11-20)18(2)3/h8-11,16-18,21H,4-7,12-15H2,1-3H3,(H,32,33)