N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S/c1-4-5-6-7-8-16-29-23-11-9-10-21(17-23)26-25(31)27-24(28)20-12-14-22(15-13-20)30-18-19(2)3/h9-15,17,19H,4-8,16,18H2,1-3H3,(H2,26,27,28,31)