1-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-thienylmethyl)urea CAS Name: 1-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-thenyl)urea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=CS3

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21N3O2S/c1-2-17(22)21-8-7-13-5-6-15(10-14(13)12-21)20-18(23)19-11-16-4-3-9-24-16/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,19,20,23)