2-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-5-(3-methylbutyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-5-(3-methylbutyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-5-isopentyl-N-(2-morpholinoethyl)thiazole-4-carboxamide CAS Name: 2-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-5-(3-methylbutyl)-N-[2-(4-morpholinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-5-(3-methylbutyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-5-isoamyl-N-(2-morpholinoethyl)thiazole-4-carboxamide Formula: C21H32N6O3S MolecularWeight: 448.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(S1)NC(=O)C2=CC(=CN2C)N)C(=O)NCCN3CCOCC3

Isomeric SMILES

CC(C)CCC1=C(N=C(S1)NC(=O)C2=CC(=CN2C)N)C(=O)NCCN3CCOCC3

InChI

InChI=1S/C21H32N6O3S/c1-14(2)4-5-17-18(20(29)23-6-7-27-8-10-30-11-9-27)24-21(31-17)25-19(28)16-12-15(22)13-26(16)3/h12-14H,4-11,22H2,1-3H3,(H,23,29)(H,24,25,28)