1-[2-methyl-4-[3-methyl-4-(prop-2-enylcarbamothioylamino)phenyl]phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-methyl-4-[3-methyl-4-(prop-2-enylcarbamothioylamino)phenyl]phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-[4-(allylcarbamothioylamino)-3-methyl-phenyl]-2-methyl-phenyl]thiourea CAS Name: 1-[2-methyl-4-[3-methyl-4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-methyl-4-[3-methyl-4-(prop-2-enylcarbamothioylamino)phenyl]phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-[4-(allylthiocarbamoylamino)-3-methyl-phenyl]-2-methyl-phenyl]thiourea Formula: C22H26N4S2 MolecularWeight: 410.59864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NCC=C)C)NC(=S)NCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NCC=C)C)NC(=S)NCC=C

InChI

InChI=1S/C22H26N4S2/c1-5-11-23-21(27)25-19-9-7-17(13-15(19)3)18-8-10-20(16(4)14-18)26-22(28)24-12-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3,(H2,23,25,27)(H2,24,26,28)