N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-methyl-4-(4-methylpiperazino)phenyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)SC4=NC(=CS4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)SC4=NC(=CS4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3S2/c1-15-12-18(27-10-8-26(3)9-11-27)5-6-19(15)25-22(29)17-4-7-21(20(13-17)28(30)31)33-23-24-16(2)14-32-23/h4-7,12-14H,8-11H2,1-3H3,(H,25,29)