N-[(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[(3-carbamoyl-4-ethyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H16ClN3O2S3 MolecularWeight: 437.98654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C18H16ClN3O2S3/c1-3-9-8(2)26-17(12(9)15(20)23)22-18(25)21-16(24)14-13(19)10-6-4-5-7-11(10)27-14/h4-7H,3H2,1-2H3,(H2,20,23)(H2,21,22,24,25)