thiophen-3-ylmethyl N-[2-[[cyano-(3-hydroxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate

Systemtic Name: thiophen-3-ylmethyl N-[2-[[cyano-(3-hydroxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate Openeye Name: 3-thienylmethyl N-[2-[[cyano-(3-hydroxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate CAS Name: N-[2-[[[cyano-(3-hydroxyphenyl)methyl]amino]-oxomethyl]cyclohexyl]carbamic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl N-[2-[[cyano-(3-hydroxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate Traditional Name: N-[2-[[cyano-(3-hydroxyphenyl)methyl]carbamoyl]cyclohexyl]carbamic acid 3-thenyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(C#N)C2=CC(=CC=C2)O)NC(=O)OCC3=CSC=C3

Isomeric SMILES

C1CCC(C(C1)C(=O)NC(C#N)C2=CC(=CC=C2)O)NC(=O)OCC3=CSC=C3

InChI

InChI=1S/C21H23N3O4S/c22-11-19(15-4-3-5-16(25)10-15)23-20(26)17-6-1-2-7-18(17)24-21(27)28-12-14-8-9-29-13-14/h3-5,8-10,13,17-19,25H,1-2,6-7,12H2,(H,23,26)(H,24,27)