1-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-[(2-methyl-5-nitro-phenyl)amino]ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]thiourea CAS Name: 1-[[2-(2-methyl-5-nitroanilino)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(2-methyl-5-nitroanilino)acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-(2-methyl-5-nitro-anilino)acetyl]amino]thiourea Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19N5O3S/c1-12-7-8-14(22(24)25)9-15(12)18-11-16(23)20-21-17(26)19-10-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,20,23)(H2,19,21,26)