(4-nitrophenyl)methyl N'-[[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-[[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamimidothioate Openeye Name: 3-[(1-benzyl-2-oxo-indolin-3-ylidene)amino]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[(1-benzyl-2-oxoindol-3-ylidene)amino]carbamimidothioate Traditional Name: 3-[(1-benzyl-2-keto-indolin-3-ylidene)amino]-2-(4-nitrobenzyl)isothiourea Formula: C23H19N5O3S MolecularWeight: 445.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NN=C(N)SCC4=CC=C(C=C4)[N+](=O)[O-])C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NN=C(N)SCC4=CC=C(C=C4)[N+](=O)[O-])C2=O

InChI

InChI=1S/C23H19N5O3S/c24-23(32-15-17-10-12-18(13-11-17)28(30)31)26-25-21-19-8-4-5-9-20(19)27(22(21)29)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,24,26)