S1,S4-bis[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] benzene-1,4-dicarbothioate

Systemtic Name: S1,S4-bis[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] benzene-1,4-dicarbothioate Openeye Name: S1,S4-bis[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] benzene-1,4-dicarbothioate CAS Name: benzene-1,4-dicarbothioic acid S1,S4-bis[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: 1-S,4-S-bis[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] benzene-1,4-dicarbothioate Traditional Name: benzene-1,4-dicarbothioic acid S1,S4-bis[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C44H56N2O4S2 MolecularWeight: 741.05644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=C(C=C3)C(=O)SC4=CC=CC=C4NC(=O)C5(CCCCC5)CCC(C)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=C(C=C3)C(=O)SC4=CC=CC=C4NC(=O)C5(CCCCC5)CCC(C)C

InChI

InChI=1S/C44H56N2O4S2/c1-31(2)23-29-43(25-11-5-12-26-43)41(49)45-35-15-7-9-17-37(35)51-39(47)33-19-21-34(22-20-33)40(48)52-38-18-10-8-16-36(38)46-42(50)44(30-24-32(3)4)27-13-6-14-28-44/h7-10,15-22,31-32H,5-6,11-14,23-30H2,1-4H3,(H,45,49)(H,46,50)