S-[[4-[2-(acetamidomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-[2-(acetamidomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-[2-(acetamidomethyl)thiazol-4-yl]thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-[2-(acetamidomethyl)-4-thiazolyl]-2-thiazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[4-[2-(acetamidomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[2-(acetamidomethyl)thiazol-4-yl]thiazol-2-yl]carbamoylamino] ester Formula: C17H15N5O3S3 MolecularWeight: 433.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NC(=CS1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=NC(=CS1)C2=CSC(=N2)NC(=O)NSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S3/c1-10(23)18-7-14-19-12(8-26-14)13-9-27-17(20-13)21-16(25)22-28-15(24)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,18,23)(H2,20,21,22,25)