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

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

Click to see the large picture

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)OCC5=CC=CC=C5)Cl

Isomeric SMILES

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

InChI

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