N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(C)C

InChI

InChI=1S/C27H31N3O4S/c1-18(2)30(27(32)28-26-19(3)7-5-8-20(26)4)16-25(31)29(15-22-9-6-12-35-22)14-21-10-11-23-24(13-21)34-17-33-23/h5-13,18H,14-17H2,1-4H3,(H,28,32)