S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopentan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24N2O5S/c1-4-7-15(19(22)24)23-20(25)14-8-5-6-9-18(14)29-21(26)13-10-11-16(27-2)17(12-13)28-3/h5-6,8-12,15H,4,7H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1