1-[[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoyl]amino]thiourea CAS Name: 1-[[[4-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoyl]amino]thiourea Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NCC=C

InChI

InChI=1S/C18H19N5O5S2/c1-3-10-19-18(29)21-20-17(24)13-5-7-14(8-6-13)22-30(27,28)16-11-15(23(25)26)9-4-12(16)2/h3-9,11,22H,1,10H2,2H3,(H,20,24)(H2,19,21,29)