3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-(2-thienylmethyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-o-anisyl-N-(2-thenyl)propionamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35N3O3S/c1-33-24-7-3-2-5-22(24)17-30(18-23-6-4-10-34-23)25(31)8-9-28-26(32)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h2-7,10,19-21H,8-9,11-18H2,1H3,(H2,28,29,32)