1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-5-nitro-pyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-5-nitro-pyridine-3-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(2-methyl-5-nitro-nicotinoyl)amino]thiourea Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-11-14(9-13(10-20-11)23(25)26)17(24)21-22-18(29)19-7-6-12-4-5-15(27-2)16(8-12)28-3/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)(H2,19,22,29)