1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-propan-2-ylthiourea IUPAC Name: 1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[2-(4-mesyl-2-nitro-anilino)ethyl]thiourea Formula: C13H20N4O4S2 MolecularWeight: 360.4523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4S2/c1-9(2)16-13(22)15-7-6-14-11-5-4-10(23(3,20)21)8-12(11)17(18)19/h4-5,8-9,14H,6-7H2,1-3H3,(H2,15,16,22)