3-nitro-N-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzamide Openeye Name: N-isopropyl-3-nitro-4-(4-thiazol-2-ylpiperazin-1-yl)benzamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(2-thiazolyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzamide Traditional Name: N-isopropyl-3-nitro-4-(4-thiazol-2-ylpiperazino)benzamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c1-12(2)19-16(23)13-3-4-14(15(11-13)22(24)25)20-6-8-21(9-7-20)17-18-5-10-26-17/h3-5,10-12H,6-9H2,1-2H3,(H,19,23)