4-azanyl-N5-(2-diethylaminoethyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-diethylaminoethyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-diethylaminoethyl)-N5-[1-(isopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-diethylaminoethyl)-N5-[1-(3-methylbutylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-diethylaminoethyl)-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-diethylaminoethyl)-N'-[1-(isoamylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide Formula: C21H38N6O3S MolecularWeight: 454.62982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(C)C)N(CCN(CC)CC)C(=O)C1=C(C(=NS1)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NCCC(C)C)N(CCN(CC)CC)C(=O)C1=C(C(=NS1)C(=O)N)N

InChI

InChI=1S/C21H38N6O3S/c1-6-9-15(20(29)24-11-10-14(4)5)27(13-12-26(7-2)8-3)21(30)18-16(22)17(19(23)28)25-31-18/h14-15H,6-13,22H2,1-5H3,(H2,23,28)(H,24,29)