N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NN=C(N1CC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(N1CC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H29N5O3S/c1-6-14(4)21-19(27)22-17(26)12-29-20-24-23-18(25(20)11-13(2)3)15-7-9-16(28-5)10-8-15/h7-10,13-14H,6,11-12H2,1-5H3,(H2,21,22,26,27)/t14-/m0/s1