4-azanyl-N5-[(5-methylfuran-2-yl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(5-methylfuran-2-yl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(5-methyl-2-furyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(5-methyl-2-furanyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-[(5-methyl-2-furyl)methyl]isothiazole-3,5-dicarboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C18H18N4O3S/c1-11-7-8-13(25-11)10-21-18(24)16-14(19)15(22-26-16)17(23)20-9-12-5-3-2-4-6-12/h2-8H,9-10,19H2,1H3,(H,20,23)(H,21,24)