N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C18H15Cl2N3OS2 MolecularWeight: 424.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C18H15Cl2N3OS2/c1-9(2)10-3-5-11(6-4-10)16(24)22-17(25)23-18-21-15-13(26-18)8-7-12(19)14(15)20/h3-9H,1-2H3,(H2,21,22,23,24,25)