1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-(4-mesyl-2-nitro-anilino)ethyl]thiourea Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=S)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=S)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S2/c1-3-6-15-13(22)16-8-7-14-11-5-4-10(23(2,20)21)9-12(11)17(18)19/h3-5,9,14H,1,6-8H2,2H3,(H2,15,16,22)