2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2-furyl)-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-(2-furanyl)-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-(2-furyl)-N-(3-imidazol-1-ylpropyl)propionamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC(C(=O)NCCCN2C=CN=C2)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CC(C(=O)NCCCN2C=CN=C2)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O3S/c22-16-4-6-18(7-5-16)30-14-20(27)25-19(13-17-3-1-12-29-17)21(28)24-8-2-10-26-11-9-23-15-26/h1,3-7,9,11-12,15,19H,2,8,10,13-14H2,(H,24,28)(H,25,27)