1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-(4-methylpiperazino)sulfonylphenyl]-3-(3-nitrophenyl)thiourea Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S2/c1-21-9-11-22(12-10-21)29(26,27)17-7-5-14(6-8-17)19-18(28)20-15-3-2-4-16(13-15)23(24)25/h2-8,13H,9-12H2,1H3,(H2,19,20,28)