N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]propanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]propanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]propanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]propionamide Formula: C17H14ClN3OS2 MolecularWeight: 375.89556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H14ClN3OS2/c1-2-15(22)21-17(23)20-13-9-10(7-8-11(13)18)16-19-12-5-3-4-6-14(12)24-16/h3-9H,2H2,1H3,(H2,20,21,22,23)