4-azanyl-N5-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N5-naphthalen-1-yl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N5-naphthalen-1-yl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1R)-2-(isopentylamino)-2-oxo-1-(p-tolyl)ethyl]-N5-(1-naphthyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-N5-(1-naphthalenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-naphthalen-1-yl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1R)-2-(isoamylamino)-2-keto-1-(p-tolyl)ethyl]-N'-(1-naphthyl)isothiazole-3,5-dicarboxamide Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCCC(C)C)N(C2=CC=CC3=CC=CC=C32)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)NCCC(C)C)N(C2=CC=CC3=CC=CC=C32)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C29H31N5O3S/c1-17(2)15-16-32-28(36)25(20-13-11-18(3)12-14-20)34(22-10-6-8-19-7-4-5-9-21(19)22)29(37)26-23(30)24(27(31)35)33-38-26/h4-14,17,25H,15-16,30H2,1-3H3,(H2,31,35)(H,32,36)/t25-/m1/s1