N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methyl-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-4-methylphenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methylphenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methyl-phenyl]thiophene-2-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O2S/c1-14-8-9-15(22-21(28)19-7-4-12-29-19)13-17(14)23-20(27)10-11-26-18-6-3-2-5-16(18)24-25-26/h2-9,12-13H,10-11H2,1H3,(H,22,28)(H,23,27)