(3S)-2-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(2-thenylcarbamoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NC(=O)NCC3=CC=CS3)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC(=O)NC(=O)NCC3=CC=CS3)C(=O)N

InChI

InChI=1S/C18H20N4O3S/c19-17(24)15-8-12-4-1-2-5-13(12)10-22(15)11-16(23)21-18(25)20-9-14-6-3-7-26-14/h1-7,15H,8-11H2,(H2,19,24)(H2,20,21,23,25)/t15-/m0/s1