N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]butyramide Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-2-5-16(23)22-18(24)20-11-8-9-12(13(19)10-11)17-21-14-6-3-4-7-15(14)25-17/h3-4,6-10H,2,5H2,1H3,(H2,20,22,23,24)