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

Systemtic Name: 1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(methylamino)-3-nitro-benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(methylamino)-3-nitrobenzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O3S/c1-3-4-5-8-16-14(23)18-17-13(20)10-6-7-11(15-2)12(9-10)19(21)22/h6-7,9,15H,3-5,8H2,1-2H3,(H,17,20)(H2,16,18,23)