methyl 6-[1-(1-adamantyl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[1-(1-adamantyl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[1-(1-adamantyl)propylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[1-(1-adamantyl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[1-(1-adamantyl)propylthiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H29ClN2O2S2 MolecularWeight: 477.08226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C24H29ClN2O2S2/c1-3-19(24-10-13-6-14(11-24)8-15(7-13)12-24)27-23(30)26-16-4-5-17-18(9-16)31-21(20(17)25)22(28)29-2/h4-5,9,13-15,19H,3,6-8,10-12H2,1-2H3,(H2,26,27,30)