2-(6-carbamimidoyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(2,2-diphenylethanoylamino)-N-[(4-hydroxyphenyl)methyl]ethanamide

Systemtic Name: 2-(6-carbamimidoyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(2,2-diphenylethanoylamino)-N-[(4-hydroxyphenyl)methyl]ethanamide Openeye Name: 2-(6-carbamimidoylthiochroman-4-yl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]acetamide CAS Name: 2-(6-carbamimidoyl-3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-[(4-hydroxyphenyl)methyl]-2-[(1-oxo-2,2-diphenylethyl)amino]acetamide IUPAC Name: 2-(6-carbamimidoyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]acetamide Traditional Name: 2-(6-amidinothiochroman-4-yl)-2-[(2,2-diphenylacetyl)amino]-N-(4-hydroxybenzyl)acetamide Formula: C33H32N4O3S MolecularWeight: 564.69718

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1C(C(=O)NCC3=CC=C(C=C3)O)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C(=N)N

Isomeric SMILES

C1CSC2=C(C1C(C(=O)NCC3=CC=C(C=C3)O)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C2)C(=N)N

InChI

InChI=1S/C33H32N4O3S/c34-31(35)24-13-16-28-27(19-24)26(17-18-41-28)30(33(40)36-20-21-11-14-25(38)15-12-21)37-32(39)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,19,26,29-30,38H,17-18,20H2,(H3,34,35)(H,36,40)(H,37,39)