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

Systemtic Name: (phenylmethyl) 8-chloranyl-6-hexoxy-9-(4-propan-2-ylphenyl)carbothioyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: benzyl 8-chloro-6-hexoxy-9-(4-isopropylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 8-chloro-6-hexoxy-9-[(4-propan-2-ylphenyl)-sulfanylidenemethyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-chloro-6-hexoxy-9-(4-propan-2-ylbenzenecarbothioyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 8-chloro-6-hexoxy-9-(4-isopropylthiobenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid benzyl ester Formula: C36H40ClNO3S MolecularWeight: 602.2257

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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)CCCC3C(=O)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CCCCCCOC1=CC(=C2C(=C1)C3=C(N2C(=S)C4=CC=C(C=C4)C(C)C)CCCC3C(=O)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C36H40ClNO3S/c1-4-5-6-10-20-40-28-21-30-33-29(36(39)41-23-25-12-8-7-9-13-25)14-11-15-32(33)38(34(30)31(37)22-28)35(42)27-18-16-26(17-19-27)24(2)3/h7-9,12-13,16-19,21-22,24,29H,4-6,10-11,14-15,20,23H2,1-3H3