N-[4-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]-2-furamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O3S/c1-14(24-22-26-17-5-2-3-7-19(17)30-22)20(27)23-13-15-8-10-16(11-9-15)25-21(28)18-6-4-12-29-18/h2-12,14H,13H2,1H3,(H,23,27)(H,24,26)(H,25,28)