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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-butan-2-yloxy-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]-4-sec-butoxy-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-4-butan-2-yloxybenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-butan-2-yloxybenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22ClN3O2S2/c1-3-15(2)31-18-11-8-16(9-12-18)23(30)29-25(32)27-17-10-13-20(26)19(14-17)24-28-21-6-4-5-7-22(21)33-24/h4-15H,3H2,1-2H3,(H2,27,29,30,32)