5-bromanyl-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-4-13-29-19-11-8-16(23)14-18(19)21(28)25-22(30)24-17-9-5-15(6-10-17)7-12-20(27)26(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H2,24,25,28,30)