3-chloranyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClN3O2S2/c1-24(2)16(25)11-12-7-9-13(10-8-12)22-20(27)23-19(26)18-17(21)14-5-3-4-6-15(14)28-18/h3-10H,11H2,1-2H3,(H2,22,23,26,27)