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

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-4-5-6-7-15-26-20-13-11-19(12-14-20)23-22(27)24-21(25)18-10-8-9-17(2)16-18/h8-14,16H,3-7,15H2,1-2H3,(H2,23,24,25,27)