4-[2-(3-phenylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-(3-phenylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-(3-phenylbutanoylamino)thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[(1-oxo-3-phenylbutyl)amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-(3-phenylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-(3-phenylbutanoylamino)thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-11(12-5-3-2-4-6-12)7-16(23)22-18-21-15(10-25-18)13-8-14(17(19)24)20-9-13/h2-6,8-11,20H,7H2,1H3,(H2,19,24)(H,21,22,23)