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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichloroanilino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]thiocarbamoyl]-4-butoxy-benzamide Formula: C25H21Cl2N3O2S2 MolecularWeight: 530.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C3=NC4=CC=CC=C4S3)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C3=NC4=CC=CC=C4S3)Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O2S2/c1-2-3-12-32-16-10-8-15(9-11-16)23(31)30-25(33)29-21-13-17(18(26)14-19(21)27)24-28-20-6-4-5-7-22(20)34-24/h4-11,13-14H,2-3,12H2,1H3,(H2,29,30,31,33)