1-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-3-phenethyl-thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-13-7-8-16(15(11-13)22(24)25)26-12-17(23)20-21-18(27)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H2,19,21,27)