2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]phenyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-N-(2-thenyl)acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)CC(=O)NCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)CC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H19N3O4S/c25-20(22-12-17-2-1-9-29-17)10-14-3-5-15(6-4-14)23-21(26)24-16-7-8-18-19(11-16)28-13-27-18/h1-9,11H,10,12-13H2,(H,22,25)(H2,23,24,26)