methyl [[5-(phenylcarbonyl)-2-[(phenylmethyl)amino]phenyl]carbamoylamino]sulfanylmethanoate

Systemtic Name: methyl [[5-(phenylcarbonyl)-2-[(phenylmethyl)amino]phenyl]carbamoylamino]sulfanylmethanoate Openeye Name: methyl [[5-benzoyl-2-(benzylamino)phenyl]carbamoylamino]sulfanylformate CAS Name: [[[[5-benzoyl-2-[(phenylmethyl)amino]anilino]-oxomethyl]amino]thio]formic acid methyl ester IUPAC Name: methyl [[5-benzoyl-2-(benzylamino)phenyl]carbamoylamino]sulfanylformate Traditional Name: [[[5-benzoyl-2-(benzylamino)phenyl]carbamoylamino]thio]formic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)SNC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)SNC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S/c1-30-23(29)31-26-22(28)25-20-14-18(21(27)17-10-6-3-7-11-17)12-13-19(20)24-15-16-8-4-2-5-9-16/h2-14,24H,15H2,1H3,(H2,25,26,28)