N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]thiophene-2-carboxamide

Systemtic Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]thiophene-2-carboxamide Openeye Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]thiophene-2-carboxamide CAS Name: N-[(Z)-[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-2-thiophenecarboxamide IUPAC Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]thiophene-2-carboxamide Traditional Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]thiophene-2-carboxamide Formula: C20H22BrN4O2S+ MolecularWeight: 462.38328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=CS4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)/C(=N/NC(=O)C4=CC=CS4)/C2=O

InChI

InChI=1S/C20H21BrN4O2S/c21-14-7-8-16-15(12-14)18(22-23-19(26)17-6-5-11-28-17)20(27)25(16)13-24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10,13H2,(H,23,26)/p+1/b22-18-