4-acetamido-5-chloranyl-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-acetamido-5-chloranyl-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-acetamido-5-chloro-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-acetamido-5-chloro-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-acetamido-5-chloro-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-acetamido-5-chloro-2-methoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-13(27)23-17-12-18(29-2)15(11-16(17)22)20(28)24-21-26-25-19(31-21)9-6-10-30-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,23,27)(H,24,26,28)