3-chloranyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCCO)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCCO)Cl

InChI

InChI=1S/C20H18ClN3O3S2/c21-16-13-7-2-4-9-15(13)29-17(16)19(27)24-20(28)23-14-8-3-1-6-12(14)18(26)22-10-5-11-25/h1-4,6-9,25H,5,10-11H2,(H,22,26)(H2,23,24,27,28)