N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide Openeye Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide CAS Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide IUPAC Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide Traditional Name: N-(7-chloro-4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)OC)CC#C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)OC)CC#C

InChI

InChI=1S/C20H18ClN3O2S/c1-5-12-24-17-16(26-4)11-10-15(21)18(17)27-20(24)22-19(25)13-6-8-14(9-7-13)23(2)3/h1,6-11H,12H2,2-4H3