N-[(3-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O3S/c1-3-4-5-6-7-15-27-20-10-8-9-18(16-20)23-22(28)24-21(25)17-11-13-19(26-2)14-12-17/h8-14,16H,3-7,15H2,1-2H3,(H2,23,24,25,28)