N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C24H20ClN3O2S2 MolecularWeight: 482.0175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C)Cl

InChI

InChI=1S/C24H20ClN3O2S2/c1-3-30-20-11-10-15(12-17(20)25)22(29)28-24(31)27-19-13-16(9-8-14(19)2)23-26-18-6-4-5-7-21(18)32-23/h4-13H,3H2,1-2H3,(H2,27,28,29,31)