N-(furan-2-ylmethyl)-3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-3-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-3-[(4-heptoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C27H31N3O4S/c1-2-3-4-5-6-16-33-23-14-12-20(13-15-23)26(32)30-27(35)29-22-10-7-9-21(18-22)25(31)28-19-24-11-8-17-34-24/h7-15,17-18H,2-6,16,19H2,1H3,(H,28,31)(H2,29,30,32,35)