N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C30H30ClFN6O4S MolecularWeight: 625.113403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F)[N+](=O)[O-]

InChI

InChI=1S/C30H30ClFN6O4S/c31-21-9-11-25(36-14-16-37(17-15-36)29(40)22-6-2-3-7-23(22)32)24(19-21)33-30(43)34-28(39)20-8-10-26(27(18-20)38(41)42)35-12-4-1-5-13-35/h2-3,6-11,18-19H,1,4-5,12-17H2,(H2,33,34,39,43)