N-(2-diethylaminoethylcarbamothioyl)-4-heptoxy-benzamide

Systemtic Name: N-(2-diethylaminoethylcarbamothioyl)-4-heptoxy-benzamide Openeye Name: N-(2-diethylaminoethylcarbamothioyl)-4-heptoxy-benzamide CAS Name: N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-(2-diethylaminoethylcarbamothioyl)-4-heptoxybenzamide Traditional Name: N-(2-diethylaminoethylthiocarbamoyl)-4-heptoxy-benzamide Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCCN(CC)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCCN(CC)CC

InChI

InChI=1S/C21H35N3O2S/c1-4-7-8-9-10-17-26-19-13-11-18(12-14-19)20(25)23-21(27)22-15-16-24(5-2)6-3/h11-14H,4-10,15-17H2,1-3H3,(H2,22,23,25,27)