N-[(3-butoxyphenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(3-butoxyphenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-butoxyphenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-butoxyanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-butoxyphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-butoxyphenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S/c1-3-5-7-8-9-18-29-22-15-13-20(14-16-22)24(28)27-25(31)26-21-11-10-12-23(19-21)30-17-6-4-2/h10-16,19H,3-9,17-18H2,1-2H3,(H2,26,27,28,31)