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

Systemtic Name: 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-[4-(p-tolylsulfonylamino)phenyl]thiourea CAS Name: 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-[4-(tosylamino)phenyl]thiourea Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-14-5-11-19(12-6-14)30(27,28)23-16-9-7-15(8-10-16)21-20(29)22-17-3-2-4-18(13-17)24(25)26/h2-13,23H,1H3,(H2,21,22,29)