N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-5-nitro-2-furamide Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O4S/c23-14(12-7-8-13(26-12)22(24)25)19-16-21-20-15(27-16)18-10-4-9-17-11-5-2-1-3-6-11/h7-8,11,17H,1-6,9-10H2,(H,18,20)(H,19,21,23)