(4-cyanophenyl)methyl N'-azanyl-N-butyl-N-(3-oxidanylideneindol-2-yl)carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-azanyl-N-butyl-N-(3-oxidanylideneindol-2-yl)carbamimidothioate Openeye Name: 3-amino-1-butyl-2-[(4-cyanophenyl)methyl]-1-(3-oxoindol-2-yl)isothiourea CAS Name: N'-amino-N-butyl-N-(3-oxo-2-indolyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-amino-N-butyl-N-(3-oxoindol-2-yl)carbamimidothioate Traditional Name: 3-amino-1-butyl-2-(4-cyanobenzyl)-1-(3-ketoindol-2-yl)isothiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=CC=CC=C2C1=O)C(=NN)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN(C1=NC2=CC=CC=C2C1=O)/C(=N/N)/SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N5OS/c1-2-3-12-26(20-19(27)17-6-4-5-7-18(17)24-20)21(25-23)28-14-16-10-8-15(13-22)9-11-16/h4-11H,2-3,12,14,23H2,1H3/b25-21-