1-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2-methyl-5-nitro-pyridine-3-carbonyl)amino]thiourea CAS Name: 1-[[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(2-methyl-5-nitro-nicotinoyl)amino]thiourea Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NNC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NNC(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-10-13(7-12(9-16-10)20(22)23)14(21)18-19-15(24)17-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,21)(H2,17,19,24)