4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-isopropoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-isopropoxybenzyl)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)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C

InChI

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