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

Systemtic Name: 3,6-bis(chloranyl)-N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C26H16Cl2N2O3S2 MolecularWeight: 539.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H16Cl2N2O3S2/c1-13-6-7-14(18-10-15-4-2-3-5-20(15)33-25(18)32)11-19(13)29-26(34)30-24(31)23-22(28)17-9-8-16(27)12-21(17)35-23/h2-12H,1H3,(H2,29,30,31,34)