[2-[(4-bromophenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[(4-bromophenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[(4-bromophenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(4-bromoanilino)-oxomethyl]amino]-4-methoxy-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(4-bromophenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[(4-bromophenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-6-yl] ester Formula: C16H11BrN4O2S2 MolecularWeight: 435.31814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1N=C(S2)NC(=O)NC3=CC=C(C=C3)Br)SC#N

Isomeric SMILES

COC1=CC(=CC2=C1N=C(S2)NC(=O)NC3=CC=C(C=C3)Br)SC#N

InChI

InChI=1S/C16H11BrN4O2S2/c1-23-12-6-11(24-8-18)7-13-14(12)20-16(25-13)21-15(22)19-10-4-2-9(17)3-5-10/h2-7H,1H3,(H2,19,20,21,22)