1-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(2-methoxy-5-nitro-benzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(2-methoxy-5-nitrobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-3-4-5-8-15-14(23)17-16-13(19)11-9-10(18(20)21)6-7-12(11)22-2/h6-7,9H,3-5,8H2,1-2H3,(H,16,19)(H2,15,17,23)