3-bromanyl-4-butoxy-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C)Br

InChI

InChI=1S/C23H28BrN3O3S/c1-4-5-14-30-20-12-9-17(15-19(20)24)22(29)26-23(31)25-18-10-6-16(7-11-18)8-13-21(28)27(2)3/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H2,25,26,29,31)