4-(4-methylpiperazin-1-yl)-3-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-(5-benzylthiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-[5-(phenylmethyl)-2-thiazolyl]benzamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-benzylthiazol-2-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-25-9-11-26(12-10-25)19-8-7-17(14-20(19)27(29)30)21(28)24-22-23-15-18(31-22)13-16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,23,24,28)