5-(azepan-1-yl)-2-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]oxazole-4-carbonitrile Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4O2S2/c23-15-17-21(25-11-6-1-2-7-12-25)28-19(24-17)14-18-20(27)26(22(29)30-18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,1-2,6-7,10-13H2