5-bromanyl-2-butoxy-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(2-isopropoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(2-propan-2-yloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(2-isopropoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OC(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OC(C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-5-12-26-18-11-10-15(22)13-16(18)20(25)24-21(28)23-17-8-6-7-9-19(17)27-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H2,23,24,25,28)