(4S)-N-heptan-4-yl-N-(2-methyl-5-nitro-phenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

Systemtic Name: (4S)-N-heptan-4-yl-N-(2-methyl-5-nitro-phenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine Openeye Name: (4S)-4-isobutyl-N-(2-methyl-5-nitro-phenyl)-N-(1-propylbutyl)-4,5-dihydrothiazol-2-amine CAS Name: (4S)-N-heptan-4-yl-N-(2-methyl-5-nitrophenyl)-4-(2-methylpropyl)-4,5-dihydrothiazol-2-amine IUPAC Name: (4S)-N-heptan-4-yl-N-(2-methyl-5-nitrophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine Traditional Name: [(4S)-4-isobutyl-2-thiazolin-2-yl]-(2-methyl-5-nitro-phenyl)-(1-propylbutyl)amine Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(C1=C(C=CC(=C1)[N+](=O)[O-])C)C2=NC(CS2)CC(C)C

Isomeric SMILES

CCCC(CCC)N(C1=C(C=CC(=C1)[N+](=O)[O-])C)C2=N[C@H](CS2)CC(C)C

InChI

InChI=1S/C21H33N3O2S/c1-6-8-18(9-7-2)23(21-22-17(14-27-21)12-15(3)4)20-13-19(24(25)26)11-10-16(20)5/h10-11,13,15,17-18H,6-9,12,14H2,1-5H3/t17-/m0/s1