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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]butanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]butanamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]butanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]butyramide Formula: C19H19N3OS2 MolecularWeight: 369.50366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3OS2/c1-2-5-17(23)22-19(24)20-12-13-8-10-14(11-9-13)18-21-15-6-3-4-7-16(15)25-18/h3-4,6-11H,2,5,12H2,1H3,(H2,20,22,23,24)