2-(6-azanylhexanoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide

Systemtic Name: 2-(6-azanylhexanoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(6-aminohexanoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[(6-amino-1-oxohexyl)amino]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(6-aminohexanoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(6-aminohexanoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)OC)NC(=O)CCCCCN

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)OC)NC(=O)CCCCCN

InChI

InChI=1S/C21H31N5O3S/c1-4-14(2)18(23-17(27)11-6-5-7-12-22)19(28)24-21-26-25-20(30-21)15-9-8-10-16(13-15)29-3/h8-10,13-14,18H,4-7,11-12,22H2,1-3H3,(H,23,27)(H,24,26,28)