N-[1-[[3-chloranyl-4-(7-cyanoimino-1,4-diazepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-5-ethynyl-thiophene-2-carboxamide

Systemtic Name: N-[1-[[3-chloranyl-4-(7-cyanoimino-1,4-diazepan-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-5-ethynyl-thiophene-2-carboxamide Openeye Name: N-[2-[3-chloro-4-(7-cyanoimino-1,4-diazepan-1-yl)anilino]-1-methyl-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: N-[1-[3-chloro-4-(7-cyanoimino-1,4-diazepan-1-yl)anilino]-1-oxopropan-2-yl]-5-ethynyl-2-thiophenecarboxamide IUPAC Name: N-[1-[3-chloro-4-(7-cyanoimino-1,4-diazepan-1-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide Traditional Name: N-[2-[3-chloro-4-(7-cyanoimino-1,4-diazepan-1-yl)anilino]-2-keto-1-methyl-ethyl]-5-ethynyl-thiophene-2-carboxamide Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)N2CCNCCC2=NC#N)Cl)NC(=O)C3=CC=C(S3)C#C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)N2CCNCCC2=NC#N)Cl)NC(=O)C3=CC=C(S3)C#C

InChI

InChI=1S/C22H21ClN6O2S/c1-3-16-5-7-19(32-16)22(31)27-14(2)21(30)28-15-4-6-18(17(23)12-15)29-11-10-25-9-8-20(29)26-13-24/h1,4-7,12,14,25H,8-11H2,2H3,(H,27,31)(H,28,30)