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

Systemtic Name: [2-[(4-bromophenyl)carbamoylamino]-6-butyl-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [2-[(4-bromophenyl)carbamoylamino]-6-butyl-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(4-bromoanilino)-oxomethyl]amino]-6-butyl-1,3-benzothiazol-4-yl] ester IUPAC Name: [2-[(4-bromophenyl)carbamoylamino]-6-butyl-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-[(4-bromophenyl)carbamoylamino]-6-butyl-1,3-benzothiazol-4-yl] ester Formula: C19H17BrN4OS2 MolecularWeight: 461.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4OS2/c1-2-3-4-12-9-15(26-11-21)17-16(10-12)27-19(23-17)24-18(25)22-14-7-5-13(20)6-8-14/h5-10H,2-4H2,1H3,(H2,22,23,24,25)