N-[(2-cyanophenyl)carbamoyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H19N5O3S/c1-14(19(27)25-20(28)24-18-9-4-3-6-15(18)13-22)30-21-23-10-11-26(21)16-7-5-8-17(12-16)29-2/h3-12,14H,1-2H3,(H2,24,25,27,28)