3-chloranyl-N-[[1-(3-cyanopropyl)-2-oxidanylidene-indol-3-ylidene]amino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[1-(3-cyanopropyl)-2-oxidanylidene-indol-3-ylidene]amino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[1-(3-cyanopropyl)-2-oxo-indolin-3-ylidene]amino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[1-(3-cyanopropyl)-2-oxo-3-indolylidene]amino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[1-(3-cyanopropyl)-2-oxoindol-3-ylidene]amino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[1-(3-cyanopropyl)-2-keto-indolin-3-ylidene]amino]benzothiophene-2-carboxamide Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N2CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N2CCCC#N

InChI

InChI=1S/C21H15ClN4O2S/c22-17-14-8-2-4-10-16(14)29-19(17)20(27)25-24-18-13-7-1-3-9-15(13)26(21(18)28)12-6-5-11-23/h1-4,7-10H,5-6,12H2,(H,25,27)