3-[(2-nitrophenyl)amino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: 3-(2-nitroanilino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(2-nitroanilino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propionamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-3-11(4-2)15-19-20-16(25-15)18-14(22)9-10-17-12-7-5-6-8-13(12)21(23)24/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,18,20,22)