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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-isopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-cyanoanilino)-oxomethyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyanophenyl)carbamoyl-isopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-18(2)30(26(32)28-21-8-5-19(13-27)6-9-21)16-25(31)29(15-22-4-3-11-35-22)14-20-7-10-23-24(12-20)34-17-33-23/h3-12,18H,14-17H2,1-2H3,(H,28,32)