tert-butyl N-[2-[[7-[(2-azanyl-3-methyl-pentan-3-yl)amino]phenothiazin-3-ylidene]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[7-[(2-azanyl-3-methyl-pentan-3-yl)amino]phenothiazin-3-ylidene]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[7-[(2-amino-1-ethyl-1-methyl-propyl)amino]phenothiazin-3-ylidene]amino]ethyl]carbamate CAS Name: N-[2-[[7-[(2-amino-3-methylpentan-3-yl)amino]-3-phenothiazinylidene]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[7-[(2-amino-3-methylpentan-3-yl)amino]phenothiazin-3-ylidene]amino]ethyl]carbamate Traditional Name: N-[2-[[7-[(2-amino-1-ethyl-1-methyl-propyl)amino]phenothiazin-3-ylidene]amino]ethyl]carbamic acid tert-butyl ester Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C)N)NC1=CC2=C(C=C1)N=C3C=CC(=NCCNC(=O)OC(C)(C)C)C=C3S2

Isomeric SMILES

CCC(C)(C(C)N)NC1=CC2=C(C=C1)N=C3C=CC(=NCCNC(=O)OC(C)(C)C)C=C3S2

InChI

InChI=1S/C25H35N5O2S/c1-7-25(6,16(2)26)30-18-9-11-20-22(15-18)33-21-14-17(8-10-19(21)29-20)27-12-13-28-23(31)32-24(3,4)5/h8-11,14-16,30H,7,12-13,26H2,1-6H3,(H,28,31)