methyl 3-chloranyl-6-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C21H21ClN2O2S2/c1-11(2)14-7-5-6-12(3)18(14)24-21(27)23-13-8-9-15-16(10-13)28-19(17(15)22)20(25)26-4/h5-11H,1-4H3,(H2,23,24,27)