1-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]thiourea Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O4S/c1-2-3-4-9-19-17(27)21-20-16(23)15-8-7-14(26-15)12-6-5-11(22(24)25)10-13(12)18/h5-8,10H,2-4,9H2,1H3,(H,20,23)(H2,19,21,27)