N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-propan-2-yl-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-propan-2-yl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-isopropyl-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-14(2)15-3-5-16(6-4-15)20(27)23-21(30)25-11-9-24(10-12-25)19-8-7-17(26(28)29)13-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,27,30)