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

Systemtic Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3S/c25-16(13-6-4-9-15(12-13)24(26)27)21-18-23-22-17(28-18)20-11-5-10-19-14-7-2-1-3-8-14/h4,6,9,12,14,19H,1-3,5,7-8,10-11H2,(H,20,22)(H,21,23,25)