1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine Openeye Name: 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine CAS Name: 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine Traditional Name: 1-(1,3-benzothiazol-2-yl)-2,3-bis(5,7-ditert-butyl-1,3-benzothiazol-2-yl)guanidine Formula: C38H46N6S3 MolecularWeight: 683.00704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)N=C(S2)NC(=NC3=NC4=CC(=CC(=C4S3)C(C)(C)C)C(C)(C)C)NC5=NC6=CC=CC=C6S5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)N=C(S2)N/C(=N/C3=NC4=CC(=CC(=C4S3)C(C)(C)C)C(C)(C)C)/NC5=NC6=CC=CC=C6S5)C(C)(C)C

InChI

InChI=1S/C38H46N6S3/c1-35(2,3)21-17-23(37(7,8)9)29-26(19-21)40-33(46-29)43-31(42-32-39-25-15-13-14-16-28(25)45-32)44-34-41-27-20-22(36(4,5)6)18-24(30(27)47-34)38(10,11)12/h13-20H,1-12H3,(H2,39,40,41,42,43,44)