(6-azanyl-1-benzothiophen-2-yl) N-[1-[3-morpholin-4-ylpropylcarbamoyl(phenethyl)carbamoyl]cyclopentyl]carbamate

Systemtic Name: (6-azanyl-1-benzothiophen-2-yl) N-[1-[3-morpholin-4-ylpropylcarbamoyl(phenethyl)carbamoyl]cyclopentyl]carbamate Openeye Name: (6-aminobenzothiophen-2-yl) N-[1-[3-morpholinopropylcarbamoyl(phenethyl)carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[3-(4-morpholinyl)propylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid (6-amino-1-benzothiophen-2-yl) ester IUPAC Name: (6-amino-1-benzothiophen-2-yl) N-[1-[3-morpholin-4-ylpropylcarbamoyl(phenethyl)carbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[3-morpholinopropylcarbamoyl(phenethyl)carbamoyl]cyclopentyl]carbamic acid (6-aminobenzothiophen-2-yl) ester Formula: C31H39N5O5S MolecularWeight: 593.73686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)OC4=CC5=C(S4)C=C(C=C5)N

Isomeric SMILES

C1CCC(C1)(C(=O)N(CCC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)OC4=CC5=C(S4)C=C(C=C5)N

InChI

InChI=1S/C31H39N5O5S/c32-25-10-9-24-21-27(42-26(24)22-25)41-30(39)34-31(12-4-5-13-31)28(37)36(16-11-23-7-2-1-3-8-23)29(38)33-14-6-15-35-17-19-40-20-18-35/h1-3,7-10,21-22H,4-6,11-20,32H2,(H,33,38)(H,34,39)