methyl 6-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[3-(4-bromo-3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H18BrClN4O2S2 MolecularWeight: 501.84812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H18BrClN4O2S2/c1-10-13(19)9-24(23-10)7-3-6-21-18(27)22-11-4-5-12-14(8-11)28-16(15(12)20)17(25)26-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,21,22,27)