1-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea CAS Name: 1-[[[4-[(3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea Formula: C21H19N5O5S2 MolecularWeight: 485.53606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S2/c27-20(23-24-21(32)22-14-15-5-2-1-3-6-15)16-9-11-17(12-10-16)25-33(30,31)19-8-4-7-18(13-19)26(28)29/h1-13,25H,14H2,(H,23,27)(H2,22,24,32)