N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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