1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-ethyl-thiourea

Systemtic Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-ethyl-thiourea Openeye Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-ethyl-thiourea CAS Name: 1-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-3-ethylthiourea IUPAC Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-ethylthiourea Traditional Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-ethyl-thiourea Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H22N4O3S2/c1-2-20-19(27)22-21-18(24)15-8-5-9-17(12-15)28(25,26)23-11-10-14-6-3-4-7-16(14)13-23/h3-9,12H,2,10-11,13H2,1H3,(H,21,24)(H2,20,22,27)