N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]amino]methyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]amino]methyl]benzamide Openeye Name: 4-[[[2-(2-allylsulfanylanilino)-2-oxo-ethyl]-(2-furylmethyl)amino]methyl]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-4-[[2-furanylmethyl-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]amino]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]amino]methyl]benzamide Traditional Name: 4-[[[2-[2-(allylthio)anilino]-2-keto-ethyl]-(2-furfuryl)amino]methyl]-N-cyclopropyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

InChI

InChI=1S/C27H29N3O3S/c1-2-16-34-25-8-4-3-7-24(25)29-26(31)19-30(18-23-6-5-15-33-23)17-20-9-11-21(12-10-20)27(32)28-22-13-14-22/h2-12,15,22H,1,13-14,16-19H2,(H,28,32)(H,29,31)