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

Systemtic Name: 3-butoxy-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-3-4-8-27-13-7-5-6-12(9-13)18(25)23-19(28)24-20-22-15-10-14(21)16(26-2)11-17(15)29-20/h5-7,9-11H,3-4,8H2,1-2H3,(H2,22,23,24,25,28)