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

Systemtic Name: N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c30-22(19-12-7-13-20(16-19)29(31)32)26-24-28-27-23(33-24)25-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H,25,27)(H,26,28,30)