3,6-bis(chloranyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H15Cl2N5OS2 MolecularWeight: 512.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H15Cl2N5OS2/c1-12-9-17-18(29-30(28-17)14-5-3-2-4-6-14)11-16(12)26-23(32)27-22(31)21-20(25)15-8-7-13(24)10-19(15)33-21/h2-11H,1H3,(H2,26,27,31,32)