1-(7-azanyl-1,1,3,3,6-pentamethyl-2H-inden-5-yl)-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(7-azanyl-1,1,3,3,6-pentamethyl-2H-inden-5-yl)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(7-amino-1,1,3,3,6-pentamethyl-indan-5-yl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(7-amino-1,1,3,3,6-pentamethyl-2H-inden-5-yl)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(7-amino-1,1,3,3,6-pentamethyl-indan-5-yl)-3-[3-(methylthio)phenyl]thiourea Formula: C22H29N3S2 MolecularWeight: 399.61576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1N)C(CC2(C)C)(C)C)NC(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=C2C(=C1N)C(CC2(C)C)(C)C)NC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H29N3S2/c1-13-17(25-20(26)24-14-8-7-9-15(10-14)27-6)11-16-18(19(13)23)22(4,5)12-21(16,2)3/h7-11H,12,23H2,1-6H3,(H2,24,25,26)