3-[[4-azanyl-2-[[4-(2-dimethylaminoethyloxy)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-2-[[4-(2-dimethylaminoethyloxy)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-amino-2-[4-(2-dimethylaminoethyloxy)anilino]thiazole-5-carbonyl]benzonitrile CAS Name: 3-[[4-amino-2-[4-(2-dimethylaminoethyloxy)anilino]-5-thiazolyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-amino-2-[4-(2-dimethylaminoethyloxy)anilino]-1,3-thiazole-5-carbonyl]benzonitrile Traditional Name: 3-[4-amino-2-[4-(2-dimethylaminoethyloxy)anilino]thiazole-5-carbonyl]benzonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC(=C3)C#N)N

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C21H21N5O2S/c1-26(2)10-11-28-17-8-6-16(7-9-17)24-21-25-20(23)19(29-21)18(27)15-5-3-4-14(12-15)13-22/h3-9,12H,10-11,23H2,1-2H3,(H,24,25)