N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-isopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3,4-dimethylanilino)-oxomethyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3,4-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=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(C)C)C

Isomeric SMILES

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

InChI

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