N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C25H31ClN6O3S MolecularWeight: 531.07004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H31ClN6O3S/c1-17-8-10-30(11-9-17)21-7-6-18(16-22(21)32(34)35)24(33)28-25(36)27-20-5-3-4-19(26)23(20)31-14-12-29(2)13-15-31/h3-7,16-17H,8-15H2,1-2H3,(H2,27,28,33,36)