N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CCC(=O)N(C)C

InChI

InChI=1S/C25H33N3O3S/c1-4-5-6-9-18-31-22-11-8-7-10-21(22)24(30)27-25(32)26-20-15-12-19(13-16-20)14-17-23(29)28(2)3/h7-8,10-13,15-16H,4-6,9,14,17-18H2,1-3H3,(H2,26,27,30,32)