2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CSC(=N1)CN(CCCOC)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

COCCCNC(=O)C1=CSC(=N1)CN(CCCOC)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H27N5O4S/c1-29-10-4-8-23-20(27)18-15-31-19(25-18)14-26(9-5-11-30-2)21(28)24-17-7-3-6-16(12-17)13-22/h3,6-7,12,15H,4-5,8-11,14H2,1-2H3,(H,23,27)(H,24,28)