N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)N(C)C

InChI

InChI=1S/C25H33N3O3S/c1-4-5-6-7-8-17-31-22-15-11-20(12-16-22)24(30)27-25(32)26-21-13-9-19(10-14-21)18-23(29)28(2)3/h9-16H,4-8,17-18H2,1-3H3,(H2,26,27,30,32)