1-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H29N3OS3 MolecularWeight: 411.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C19H29N3OS3/c1-3-4-5-6-14(2)13-20-19(24)22-21-17(23)15-7-9-16(10-8-15)18-25-11-12-26-18/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,21,23)(H2,20,22,24)/t14-/m0/s1