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

Systemtic Name: 3-chloranyl-N-[4-(propanoylcarbamothioylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(propionylthiocarbamoylamino)phenyl]benzothiophene-2-carboxamide Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O2S2/c1-2-15(24)23-19(26)22-12-9-7-11(8-10-12)21-18(25)17-16(20)13-5-3-4-6-14(13)27-17/h3-10H,2H2,1H3,(H,21,25)(H2,22,23,24,26)