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

Systemtic Name: 4-azanyl-N3-(phenylmethyl)-N5-[(4-propoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(4-propoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-(phenylmethyl)-N5-[(4-propoxyphenyl)methyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(4-propoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-(4-propoxybenzyl)isothiazole-3,5-dicarboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O3S/c1-2-12-29-17-10-8-16(9-11-17)14-25-22(28)20-18(23)19(26-30-20)21(27)24-13-15-6-4-3-5-7-15/h3-11H,2,12-14,23H2,1H3,(H,24,27)(H,25,28)