4-(azepan-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c24-16(19-18-21-20-17(27-18)12-5-6-12)13-7-8-14(15(11-13)23(25)26)22-9-3-1-2-4-10-22/h7-8,11-12H,1-6,9-10H2,(H,19,21,24)