N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-[(phenylmethyl)carbamoylamino]thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-[(phenylmethyl)carbamoylamino]thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(benzylcarbamoylamino)-5-methyl-thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(benzylcarbamoylamino)-5-methylthiophene-2-carboxamide Traditional Name: 4-(benzylcarbamoylamino)-5-methyl-N-piperonyl-thiophene-2-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-14-17(25-22(27)24-11-15-5-3-2-4-6-15)10-20(30-14)21(26)23-12-16-7-8-18-19(9-16)29-13-28-18/h2-10H,11-13H2,1H3,(H,23,26)(H2,24,25,27)