S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] furan-2-carbothioate

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] furan-2-carbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] furan-2-carbothioate CAS Name: 2-furancarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino] furan-2-carbothioate Traditional Name: furan-2-carbothioic acid S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC=CO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O3S2/c1-12-13(18-21-15-7-2-3-10-17(15)27-18)6-4-8-14(12)22-20(25)23-28-19(24)16-9-5-11-26-16/h2-11H,1H3,(H2,22,23,25)