methyl 6-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[(3-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H16ClN5O3S2 MolecularWeight: 437.92364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H16ClN5O3S2/c1-3-23-7-10(13(22-23)15(19)24)21-17(27)20-8-4-5-9-11(6-8)28-14(12(9)18)16(25)26-2/h4-7H,3H2,1-2H3,(H2,19,24)(H2,20,21,27)