N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butane-1,4-diamine

Systemtic Name: N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butane-1,4-diamine Openeye Name: N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butane-1,4-diamine CAS Name: N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butane-1,4-diamine IUPAC Name: N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butane-1,4-diamine Traditional Name: 4-aminobutyl-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCCCN

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCCCN

InChI

InChI=1S/C18H21N3S/c1-13-4-9-16-17(12-13)22-18(21-16)14-5-7-15(8-6-14)20-11-3-2-10-19/h4-9,12,20H,2-3,10-11,19H2,1H3