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

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3S/c1-4-5-6-7-8-18-30-24-15-11-22(12-16-24)27-26(32)28-25(29)21-9-13-23(14-10-21)31-19-17-20(2)3/h9-16,20H,4-8,17-19H2,1-3H3,(H2,27,28,29,32)