1-[5-nitro-2-[(phenylmethyl)amino]phenyl]sulfonyl-3-propan-2-yl-thiourea

Systemtic Name: 1-[5-nitro-2-[(phenylmethyl)amino]phenyl]sulfonyl-3-propan-2-yl-thiourea Openeye Name: 1-[2-(benzylamino)-5-nitro-phenyl]sulfonyl-3-isopropyl-thiourea CAS Name: 1-[5-nitro-2-[(phenylmethyl)amino]phenyl]sulfonyl-3-propan-2-ylthiourea IUPAC Name: 1-[2-(benzylamino)-5-nitrophenyl]sulfonyl-3-propan-2-ylthiourea Traditional Name: 1-[2-(benzylamino)-5-nitro-phenyl]sulfonyl-3-isopropyl-thiourea Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4S2/c1-12(2)19-17(26)20-27(24,25)16-10-14(21(22)23)8-9-15(16)18-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3,(H2,19,20,26)