N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: 4-heptoxy-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-[(3-sec-butoxyphenyl)thiocarbamoyl]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)OC(C)CC

Isomeric SMILES

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

InChI

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