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

Systemtic Name: 3-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

InChI

InChI=1S/C25H32BrN3O3S/c1-4-5-6-7-15-32-22-13-12-19(17-21(22)26)24(31)28-25(33)27-20-10-8-9-18(16-20)11-14-23(30)29(2)3/h8-10,12-13,16-17H,4-7,11,14-15H2,1-3H3,(H2,27,28,31,33)