ethyl N-[[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-methanethioyl-amino]carbamate

Systemtic Name: ethyl N-[[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-methanethioyl-amino]carbamate Openeye Name: ethyl N-[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-methanethioyl-anilino]carbamate CAS Name: N-[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-methanethioylanilino]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-methanethioylanilino]carbamate Traditional Name: N-[4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-thioformyl-anilino]carbamic acid ethyl ester Formula: C26H29ClN4O5S MolecularWeight: 545.05026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C=S)C1=CC=C(C=C1)OCC2COC(O2)(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

CCOC(=O)NN(C=S)C1=CC=C(C=C1)OCC2COC(O2)(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C26H29ClN4O5S/c1-2-33-25(32)29-31(19-37)22-7-9-23(10-8-22)34-15-24-16-35-26(36-24,17-30-14-13-28-18-30)12-11-20-3-5-21(27)6-4-20/h3-10,13-14,18-19,24H,2,11-12,15-17H2,1H3,(H,29,32)