N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-propoxy-benzamide Formula: C18H15Cl2N3O2S2 MolecularWeight: 440.3666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O2S2/c1-2-9-25-11-5-3-10(4-6-11)16(24)22-17(26)23-18-21-15-13(27-18)8-7-12(19)14(15)20/h3-8H,2,9H2,1H3,(H2,21,22,23,24,26)