N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H13BrClN3O2S3 MolecularWeight: 538.88812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Br

InChI

InChI=1S/C20H13BrClN3O2S3/c1-27-14-7-6-10(8-12(14)21)13-9-29-20(23-13)25-19(28)24-18(26)17-16(22)11-4-2-3-5-15(11)30-17/h2-9H,1H3,(H2,23,24,25,26,28)