N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C19H13ClN4O2S3 MolecularWeight: 460.98012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H13ClN4O2S3/c1-9(25)21-10-6-7-12-14(8-10)29-19(22-12)24-18(27)23-17(26)16-15(20)11-4-2-3-5-13(11)28-16/h2-8H,1H3,(H,21,25)(H2,22,23,24,26,27)