N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-10(2)11-4-6-12(7-5-11)17(24)22-18(26)23-19-21-14-8-13(20)15(25-3)9-16(14)27-19/h4-10H,1-3H3,(H2,21,22,23,24,26)