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

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-2-[(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=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C27H31N3O4S/c1-2-3-4-5-8-17-33-21-15-13-20(14-16-21)25(31)30-27(35)29-24-12-7-6-11-23(24)26(32)28-19-22-10-9-18-34-22/h6-7,9-16,18H,2-5,8,17,19H2,1H3,(H,28,32)(H2,29,30,31,35)