N-[[4-(aminocarbonylamino)phenyl]methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(4-ureidophenyl)methyl]thiophene-2-carboxamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ureidobenzyl)thiophene-2-carboxamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=C(C=C4)NC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=C(C=C4)NC(=O)N

InChI

InChI=1S/C22H22N4O4S2/c23-22(28)25-18-7-5-15(6-8-18)13-24-21(27)20-19(10-12-31-20)32(29,30)26-11-9-16-3-1-2-4-17(16)14-26/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H3,23,25,28)