1-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-methyl-4-nitro-benzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(3-methyl-4-nitrobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C14H20N4O3S/c1-3-4-5-8-15-14(22)17-16-13(19)11-6-7-12(18(20)21)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,19)(H2,15,17,22)