S-[[4-[6-[(ethoxycarbonylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-[6-[(ethoxycarbonylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-[6-[(ethoxycarbonylamino)methyl]-2-pyridyl]thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-[6-[(ethoxycarbonylamino)methyl]-2-pyridinyl]-2-thiazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[4-[6-[(ethoxycarbonylamino)methyl]pyridin-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[6-[(carbethoxyamino)methyl]-2-pyridyl]thiazol-2-yl]carbamoylamino] ester Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NCC1=CC=CC(=N1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O4S2/c1-2-29-20(28)21-11-14-9-6-10-15(22-14)16-12-30-19(23-16)24-18(27)25-31-17(26)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,21,28)(H2,23,24,25,27)