1-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-(4-chloro-3-nitro-benzylidene)amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C18H18ClN5O5S2 MolecularWeight: 483.94902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O5S2/c19-16-6-1-13(11-17(16)24(25)26)12-20-22-18(30)21-14-2-4-15(5-3-14)31(27,28)23-7-9-29-10-8-23/h1-6,11-12H,7-10H2,(H2,21,22,30)/b20-12+