(3,5-dinitrophenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-13(2)17-4-3-5-18-19(17)22-21(32-18)24-8-6-23(7-9-24)20(27)14-10-15(25(28)29)12-16(11-14)26(30)31/h3-5,10-13H,6-9H2,1-2H3