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

Systemtic Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c22-14(11-6-5-9-13(10-11)21(23)24)18-16-20-19-15(25-16)17-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8H2,(H,17,19)(H,18,20,22)